8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene

C19H14 — CID 123187925

IUPAC8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene
SMILESCc1cc2ccc3cccc4c5c(c(c1)c2c34)CC5
InChIInChI=1S/C19H14/c1-11-9-13-6-5-12-3-2-4-16-14-7-8-15(14)17(10-11)19(13)18(12)16/h2-6,9-10H,7-8H2,1H3
InChIKeyJRILPWRAYGZHGN-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.99
Rot. Bonds

About 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene

8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene (PubChem CID 123187925) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene.

Molecular Properties

Compound Name8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene
PubChem CID123187925
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene
SMILESCc1cc2ccc3cccc4c5c(c(c1)c2c34)CC5
InChIInChI=1S/C19H14/c1-11-9-13-6-5-12-3-2-4-16-14-7-8-15(14)17(10-11)19(13)18(12)16/h2-6,9-10H,7-8H2,1H3
InChIKeyJRILPWRAYGZHGN-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 101455015
2,9,10-trimethylperylene
CID 58193405
2-methylperylene;3-methylperylene
CID 157412879
pyrene;1,3-xylene
CID 174892551
4,5-dimethylpentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
CID 58161561
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
1-(3,5-dimethylphenyl)perylene
CID 20517158
4,10-dimethylpyrene
CID 91667650
tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate
CID 139136663
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Frequently Asked Questions

What is the IUPAC name of 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene?
The IUPAC name of 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene (CID 123187925) is 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene.
What is the SMILES notation for 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene?
The canonical SMILES for 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene is Cc1cc2ccc3cccc4c5c(c(c1)c2c34)CC5.
What is the InChIKey of 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene?
The InChIKey is JRILPWRAYGZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-11-9-13-6-5-12-3-2-4-16-14-7-8-15(14)17(10-11)19(13)18(12)16/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene?
8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene has a molecular weight of 242.32 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene is sourced from PubChem (CID 123187925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).